2-[5-fluoranyl-2-methyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-(4-pyrrolidinosulfonylbenzyl)indol-3-yl]acetic acid Formula: C22H23FN2O4S MolecularWeight: 430.492423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C22H23FN2O4S/c1-15-19(13-22(26)27)20-12-17(23)6-9-21(20)25(15)14-16-4-7-18(8-5-16)30(28,29)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,26,27)